SCHEMBL677619

SCHEMBL677619

CN1C(=O)CCCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NOTUM Q6P988 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
BRPF1 P55201 1/20 0.44
TSHR P16473 1/20 0.44
SRD5A1 P18405 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29946500 0.96 MEN1 (0.50) MEN1KMT2ANOTUMCYP1A2CYP2C9
SCHEMBL678115 0.96 MEN1 (0.50) MEN1KMT2ANOTUMCYP1A2CYP2C9
SCHEMBL21120469 0.91 MEN1 (0.47) MEN1KMT2ANOTUMCYP1A2CYP2C9
SCHEMBL761220 0.88 SRD5A1 (0.54) MEN1KMT2ACYP1A2POLBALDH1A1
Hydrochloric Acid SCHEMBL27632990 0.86 SRD5A1 (0.53) MEN1KMT2ACYP1A2POLBALDH1A1
SCHEMBL10128232 0.81 ALDH1A1 (0.52) MEN1KMT2ANOTUMCYP1A2ALDH1A1
SCHEMBL29385722 0.78 NOTUM (0.56) MEN1KMT2ANOTUMBRPF1GAA
SCHEMBL578262 0.78 NOTUM (0.56) MEN1KMT2ANOTUMBRPF1GAA
SCHEMBL16767079 0.78 NOTUM (0.56) MEN1KMT2ANOTUMBRPF1GAA
SCHEMBL20073840 0.78 NOTUM (0.44) NOTUMBRPF1TSHRSRD5A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2018-01-18 US disclosed
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO, INC. 2016-09-22 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-01 US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 US disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction EISAI CO., LTD. (JP) 2006-08-03 US disclosed
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction EISAI CO., LTD. (JP) 2006-08-03 US disclosed
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-06-22 US disclosed
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging EISAI R & D MANAGEMENT CO., LTD. (JP) 2006-06-22 US disclosed
WO-2005087226-A1 CADASIL TREATMENT WITH CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2005-09-22 WO disclosed
WO-2004034963-A2 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2004-04-29 WO disclosed
WO-2003024450-A1 METHODS FOR TREATING PRION DISEASES EISAI CO., LTD. (JP) 2003-03-27 WO disclosed
WO-2003024456-A1 METHODS FOR TREATING AND PREVENTING MIGRAINES EISAI CO., LTD. (JP) 2003-03-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A MEN1 1880/4885KMT2A 183/4885NOTUM 96/4885
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain ACHE, CHRNA5, CHRNA2 MEN1 4435/4885KMT2A 476/4885NOTUM 569/4885
US-20160271108-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE2, BACE1, GRIN2A MEN1 4306/4885KMT2A 530/4885NOTUM 3174/4885
US-20060135507-A1 Therapeutic agent for overactive bladder involved in aging ACHE, BPHL, GLA MEN1 4295/4885KMT2A 3061/4885NOTUM 622/4885
US-20180015109-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE MEN1 4285/4885KMT2A 793/4885NOTUM 2287/4885
US-20060172992-A1 Therapeutic agent for overactive bladder resulting from cerebral infarction ACHE, CHAT, BCHE MEN1 2596/4885KMT2A 2169/4885NOTUM 975/4885
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN MEN1 571/4885KMT2A 1022/4885NOTUM 1921/4885
US-20110212928-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE MEN1 4285/4885KMT2A 793/4885NOTUM 2287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.